CID 317080

2-(3-chlorophenyl)-6-methyl-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClNO2/c1-9-5-6-13-12(7-9)15(18)19-14(17-13)10-3-2-4-11(16)8-10/h2-8H,1H3
InChIKey
PIWAGCRVYCUFQK-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-6-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

271.04 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 157.3
[M+Na]+ 294.02922 169.8
[M-H]- 270.03272 165.1
[M+NH4]+ 289.07382 173.4
[M+K]+ 310.00316 164.8
[M+H-H2O]+ 254.03726 149.6
[M+HCOO]- 316.03820 174.8
[M+CH3COO]- 330.05385 170.9
[M+Na-2H]- 292.01467 165.2
[M]+ 271.03945 162.5
[M]- 271.04055 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe